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ChEBI
> Main
CHEBI:90276 - 8-deoxylactucin 15-oxalate
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ChEBI Name
8-deoxylactucin 15-oxalate
ChEBI ID
CHEBI:90276
Definition
A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 8-deoxylactucin. Found in chicory.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C17H16O7
Net Charge
0
Average Mass
332.305
Monoisotopic Mass
332.08960
InChI
InChI=1S/C17H16O7/c1-
7-
3-
4-
10-
8(2)
16(21)
24-
14(10)
13-
9(5-
11(18)
12(7)
13)
6-
23-
17(22)
15(19)
20/h5,10,13-
14H,2-
4,6H2,1H3,(H,19,20)
/t10-
,13-
,14-
/m0/s1
InChIKey
ZQSFAFPMECAWPM-BPNCWPANSA-N
SMILES
O(CC1=CC(=O)C2=C(C)CC[C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O
Metabolite of Species
Details
Cichorium intybus
(NCBI:txid13427)
See:
MetaboLights Study
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
has functional parent
oxalic acid (
CHEBI:16995
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
has role
plant metabolite (
CHEBI:76924
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
is a
azulenofuran (
CHEBI:39433
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
is a
cyclic terpene ketone (
CHEBI:36130
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
is a
enone (
CHEBI:51689
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
8-deoxylactucin 15-oxalate (
CHEBI:90276
)
is a
sesquiterpene lactone (
CHEBI:37667
)
IUPAC Name
{[(3a
S
,9a
S
,9b
S
)-
6-
methyl-
3-
methylidene-
2,7-
dioxo-
2,3,3a,4,5,7,9a,9b-
octahydroazuleno[4,5-
b]furan-
9-
yl]methoxy}(oxo)acetic acid
Synonym
Source
15-oxalyl-8-deoxylactucin
ChEBI
Last Modified
15 June 2016